N-[(3aS,5aR,7S,10aS)-1-Acetyl-5,10-dioxododecahydrodipyrrolo[1,2-a:3',2'-E][1,4]diazepin-7-yl]-2-thiophenecarboxamide
13081
Reference
N-[(3aS,5aR,7S,10aS)-1-Acetyl-5,10-dioxododecahydrodipyrrolo[1,2-a:3',2'-E][1,4]diazepin-7-yl]-2-thiophenecarboxamide Structure
Systematic / IUPAC Name: N-[(3S,7S,10R,12S)-4-Acetyl-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]thiophene-2-carboxamide
ID: Reference13081
Other Names: NAT3-188117
Formula: C17H20N4O4S
Spectral Data
N-[(3aS,5aR,7S,10aS)-1-Acetyl-5,10-dioxododecahydrodipyrrolo[1,2-a:3',2'-E][1,4]diazepin-7-yl]-2-thiophenecarboxamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 930 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/28/2024 9:49:05 AM |
Identificators
| InChI | InChI=1S/C17H20N4O4S/c1-9(22)20-5-4-11-14(20)17(25)21-8-10(7-12(21)15(23)19-11)18-16(24)13-3-2-6-26-13/h2-3,6,10-12,14H,4-5,7-8H2,1H3,(H,18,24)(H,19,23)/t10-,11-,12+,14-/m0/s1 |
| InChI Key | VBDLIESDQAVQCL-FMSGJZPZSA-N |
| Canonical SMILES | CC(=O)N1CCC2C1C(=O)N3CC(CC3C(=O)N2)NC(=O)C4=CC=CS4 |
| CAS | |
| Splash | |
| Other Names | NAT3-188117 |